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    9 repositories

    • om-data

      Public
      Jupyter Notebook
      •
      MIT License
      •4•15•0•0•Updated Aug 26, 2025Aug 26, 2025

    • cclib

      Public
      Parsers and algorithms for computational chemistry logfiles
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •174•0•0•0•Updated Feb 15, 2025Feb 15, 2025

    • Open-Catalyst-Dataset

      Public archive
      Workflow for creating and analyzing the Open Catalyst Dataset
      Python
      •
      MIT License
      •33•112•1•0•Updated Feb 5, 2025Feb 5, 2025

    • ocpapi

      Public archive
      Python
      •
      MIT License
      •2•14•0•1•Updated Feb 5, 2025Feb 5, 2025

    • odac-data

      Public archive
      Python
      •
      MIT License
      •2•5•0•1•Updated Feb 5, 2025Feb 5, 2025

    • tutorial

      Public archive
      Tutorials on using OCP
      Jupyter Notebook
      •5•10•2•1•Updated Feb 5, 2025Feb 5, 2025

    • AdsorbML

      Public archive
      Corresponding dataset and tools for the AdsorbML manuscript.
      Jupyter Notebook
      •
      MIT License
      •6•40•3•0•Updated Feb 5, 2025Feb 5, 2025

    • .github

      Public
      0•0•0•0•Updated Feb 5, 2025Feb 5, 2025

    • quacc

      Public
      quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •61•0•0•0•Updated Nov 22, 2024Nov 22, 2024